CID 202093

7477-24-9

Structural Information

Molecular Formula
C21H31NO3
SMILES
CCN(CC)CCOC(=O)C(C1=CC=CC=C1)C(C2CCC=CC2)O
InChI
InChI=1S/C21H31NO3/c1-3-22(4-2)15-16-25-21(24)19(17-11-7-5-8-12-17)20(23)18-13-9-6-10-14-18/h5-9,11-12,18-20,23H,3-4,10,13-16H2,1-2H3
InChIKey
HRCOKXUTLNEIOQ-UHFFFAOYSA-N
Compound name
2-(diethylamino)ethyl 3-cyclohex-3-en-1-yl-3-hydroxy-2-phenylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

345.2304 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.23768 187.9
[M+Na]+ 368.21962 187.4
[M-H]- 344.22312 192.2
[M+NH4]+ 363.26422 199.6
[M+K]+ 384.19356 185.5
[M+H-H2O]+ 328.22766 178.8
[M+HCOO]- 390.22860 204.8
[M+CH3COO]- 404.24425 216.6
[M+Na-2H]- 366.20507 185.7
[M]+ 345.22985 186.8
[M]- 345.23095 186.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.